1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(1H-indole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(1H-indole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one
1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(1H-indole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | S986-0448 |
| Compound Name: | 1-[rel-(3aR,6aR)-3a-[(dimethylamino)methyl]-5-(1H-indole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C21 H28 N4 O3 |
| Smiles: | CN(C)C[C@]12CN(C[C@@H]2CN(C1)C(c1ccc2c(cc[nH]2)c1)=O)C(COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.0593 |
| logD: | -3.1755 |
| logSw: | -2.1443 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.566 |
| InChI Key: | ACFHXTULUXGNDD-UWJYYQICSA-N |